1(2H)-Pyridinepropanenitrile, 3,6-dihydro-4-(3-(trifluoromethyl)phenyl)-, hydrochloride
Basic information
- CAS
84226-24-4- Standard SMILES
Cl.N#CCCN1CC=C(c2cccc(C(F)(F)F)c2)CC1- InChIKey
ZIINIICZYAQPSX-UHFFFAOYSA-N- Molecular formula
- C15H16ClF3N2
- Average molar mass
- 316.75 g/mol
- Monoisotopic mass
- 316.0954107
Names & identifiers
- Preferred name
- 1(2H)-Pyridinepropanenitrile, 3,6-dihydro-4-(3-(trifluoromethyl)phenyl)-, hydrochloride
- IUPAC
- 3-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propanenitrile;hydrochloride
- English name
- 3-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propaneni trile hydrochloride
- Molecular formula
- C15H16ClF3N2
- Molecular weight
- 0
Names & synonyms
CM 57493 hydrochloride1(2H)-Pyridinepropanenitrile, 3,6-dihydro-4-(3-(trifluoromethyl)phenyl)-, hydrochloride84226-24-43,6-Dihydro-4-(3-(trifluoromethyl)phenyl)-1(2H)-pyridinepropanenitrile hydrochloride4-(3-Trifluoromethylphenyl)-1-(2-cyanoethyl)-1,2,3,6-tetrahydropyridine hydrochlorideDTXSID50233149RefChem:211636DTXCID00155640SCHEMBL9485499ZIINIICZYAQPSX-UHFFFAOYSA-N3-{4-[3-(Trifluoromethyl)phenyl]-3,6-dihydropyridin-1(2H)-yl}propanenitrile--hydrogen chloride (1/1)3-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propaneni trile hydrochloride
Database identifiers
- CAS
84226-24-4- PubChem CID
- 3069008
- DTXSID
DTXSID50233149
Properties
Computed structural properties
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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